N-[1-(azepan-2-yl)propan-2-yl]octan-4-amine

C17H36N2 — CID 106023864

IUPACN-[1-(azepan-2-yl)propan-2-yl]octan-4-amine
SMILESCCCCC(CCC)NC(C)CC1CCCCCN1
InChIInChI=1S/C17H36N2/c1-4-6-11-16(10-5-2)19-15(3)14-17-12-8-7-9-13-18-17/h15-19H,4-14H2,1-3H3
InChIKeyWYTRLWNEFCRPCI-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.25
Rot. Bonds9

About N-[1-(azepan-2-yl)propan-2-yl]octan-4-amine

N-[1-(azepan-2-yl)propan-2-yl]octan-4-amine (PubChem CID 106023864) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N-[1-(azepan-2-yl)propan-2-yl]octan-4-amine.

Molecular Properties

Compound NameN-[1-(azepan-2-yl)propan-2-yl]octan-4-amine
PubChem CID106023864
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN-[1-(azepan-2-yl)propan-2-yl]octan-4-amine
SMILESCCCCC(CCC)NC(C)CC1CCCCCN1
InChIInChI=1S/C17H36N2/c1-4-6-11-16(10-5-2)19-15(3)14-17-12-8-7-9-13-18-17/h15-19H,4-14H2,1-3H3
InChIKeyWYTRLWNEFCRPCI-UHFFFAOYSA-N
XLogP4.25
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azepan-2-yl)-N-(2-butoxyethyl)propan-2-amine
CID 79560725
N-[1-(azepan-2-yl)propan-2-yl]-2-methylpentan-3-amine
CID 79559883
1-(azepan-2-yl)-N-[(1R)-1-cyclohexylethyl]propan-2-amine
CID 81384452
N-[1-(azepan-2-yl)propan-2-yl]-1-cyclohexylpropan-1-amine
CID 79560812
3-methyl-N-(1-piperidin-2-ylpropan-2-yl)pentan-2-amine
CID 79539602
N-(piperidin-2-ylmethyl)hexan-2-amine
CID 62199509
2-N-[1-(azepan-2-yl)propan-2-yl]-1-N,1-N-diethylpropane-1,2-diamine
CID 79560887
N-[1-(azepan-2-yl)propan-2-yl]-4-methylsulfanylbutan-2-amine
CID 113477132
2-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,3-diol
CID 79540590
4-[1-(azepan-2-yl)propan-2-ylamino]pentan-2-ol
CID 113376129
1-N,1-N,4-trimethyl-2-N-(1-piperidin-2-ylpropan-2-yl)pentane-1,2-diamine
CID 79538875
N-(1-piperidin-2-ylpropan-2-yl)cyclohexanamine
CID 79549011

Frequently Asked Questions

What is the IUPAC name of N-[1-(azepan-2-yl)propan-2-yl]octan-4-amine?
The IUPAC name of N-[1-(azepan-2-yl)propan-2-yl]octan-4-amine (CID 106023864) is N-[1-(azepan-2-yl)propan-2-yl]octan-4-amine.
What is the SMILES notation for N-[1-(azepan-2-yl)propan-2-yl]octan-4-amine?
The canonical SMILES for N-[1-(azepan-2-yl)propan-2-yl]octan-4-amine is CCCCC(CCC)NC(C)CC1CCCCCN1.
What is the InChIKey of N-[1-(azepan-2-yl)propan-2-yl]octan-4-amine?
The InChIKey is WYTRLWNEFCRPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-4-6-11-16(10-5-2)19-15(3)14-17-12-8-7-9-13-18-17/h15-19H,4-14H2,1-3H3.
What are the key properties of N-[1-(azepan-2-yl)propan-2-yl]octan-4-amine?
N-[1-(azepan-2-yl)propan-2-yl]octan-4-amine has a molecular weight of 268.49 g/mol, XLogP of 4.25, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azepan-2-yl)propan-2-yl]octan-4-amine is sourced from PubChem (CID 106023864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).